3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate

C85H95Cl7IN19O8Si — CID 159270472

About 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate

3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate (PubChem CID 159270472) has the molecular formula C85H95Cl7IN19O8Si and a molecular weight of 1913.98 g/mol. Its IUPAC name is 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

• Compound Name: 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
• PubChem CID: 159270472
• Molecular Formula: C85H95Cl7IN19O8Si
• Molecular Weight: 1913.98 g/mol
• Exact Mass: 1909.42
• IUPAC Name: 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NCc2cccc(Cl)c2)nn1C.Cn1nc(NCc2cccc(Cl)c2)cc1C(O)c1c[nH]c2ncc(Cl)cc12.Cn1nc(NCc2cccc(Cl)c2)cc1C=O.Cn1nc(NCc2cccc(Cl)c2)cc1CO.O=Cc1cccc(Cl)c1
• InChI: InChI=1S/C19H17Cl2N5O.C16H24ClIN2Si.C13H14ClN3O2.C12H14ClN3O.C12H12ClN3O.C7H5ClO.C6H9N3O2/c1-26-16(7-17(25-26)22-8-11-3-2-4-12(20)5-11)18(27)15-10-24-19-14(15)6-13(21)9-23-19;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-17-11(13(18)19-2)7-12(16-17)15-8-9-4-3-5-10(14)6-9;2*1-16-11(8-17)6-12(15-16)14-7-9-3-2-4-10(13)5-9;8-7-3-1-2-6(4-7)5-9;1-9-4(6(10)11-2)3-5(7)8-9/h2-7,9-10,18,27H,8H2,1H3,(H,22,25)(H,23,24);7-12H,1-6H3;3-7H,8H2,1-2H3,(H,15,16);2-6,17H,7-8H2,1H3,(H,14,15);2-6,8H,7H2,1H3,(H,14,15);1-5H;3H,1-2H3,(H2,7,8)
• InChIKey: KXQNXGOYRAZVKW-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 336.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1913.98
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate?

The IUPAC name of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate (CID 159270472) is 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate.

What is the SMILES notation for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate?

The canonical SMILES for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NCc2cccc(Cl)c2)nn1C.Cn1nc(NCc2cccc(Cl)c2)cc1C(O)c1c[nH]c2ncc(Cl)cc12.Cn1nc(NCc2cccc(Cl)c2)cc1C=O.Cn1nc(NCc2cccc(Cl)c2)cc1CO.O=Cc1cccc(Cl)c1.

What is the InChIKey of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate?

The InChIKey is KXQNXGOYRAZVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O.C16H24ClIN2Si.C13H14ClN3O2.C12H14ClN3O.C12H12ClN3O.C7H5ClO.C6H9N3O2/c1-26-16(7-17(25-26)22-8-11-3-2-4-12(20)5-11)18(27)15-10-24-19-14(15)6-13(21)9-23-19;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-17-11(13(18)19-2)7-12(16-17)15-8-9-4-3-5-10(14)6-9;2*1-16-11(8-17)6-12(15-16)14-7-9-3-2-4-10(13)5-9;8-7-3-1-2-6(4-7)5-9;1-9-4(6(10)11-2)3-5(7)8-9/h2-7,9-10,18,27H,8H2,1H3,(H,22,25)(H,23,24);7-12H,1-6H3;3-7H,8H2,1-2H3,(H,15,16);2-6,17H,7-8H2,1H3,(H,14,15);2-6,8H,7H2,1H3,(H,14,15);1-5H;3H,1-2H3,(H2,7,8).

What are the key properties of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate?

3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate has a molecular weight of 1913.98 g/mol, XLogP of 19.70, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 159270472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).